3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Openeye Name: 3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide CAS Name: 3,4,5-trimethoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Traditional Name: 3,4,5-trimethoxy-N-[3-[2-(methylthio)ethyl]-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCSC

InChI

InChI=1S/C20H21N3O6S2/c1-27-15-9-12(10-16(28-2)18(15)29-3)19(24)21-20-22(7-8-30-4)14-6-5-13(23(25)26)11-17(14)31-20/h5-6,9-11H,7-8H2,1-4H3